Information card for entry 7247781

Structure parameters

• Common name: 4,4''-dimethoxy-6'-(methylthio)-[1,1':4',1''-terphenyl]-2'-ol
• Chemical name: 4,4''-dimethoxy-6'-(methylthio)-[1,1':4',1''-terphenyl]-2'-ol
• Formula: C2.471 H2.353 O0.353 S0.118
• Calculated formula: C2.47059 H2.35294 O0.352941 S0.117647
• Title of publication: 1,3-Dianionic annulation of ketones with ketene dithioacetal: a modified route to 3-aryl/cyclopropyl-5-thiomethyl-phenols and 1-(methylthio)-9,10-dihydrophenanthren-3-ols
• Authors of publication: Shaw, Ranjay; Prakash, Prasoon; Althagafi, Ismail; Giri, Nand Gopal; Pratap, Ramendra
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 48
• Pages of publication: 34299 - 34307
• a: 22.2427 ± 0.0013 Å
• b: 5.4882 ± 0.0004 Å
• c: 29.653 ± 0.002 Å
• α: 90°
• β: 90.096 ± 0.006°
• γ: 90°
• Cell volume: 3619.8 ± 0.4 ų
• Cell temperature: 288 ± 3 K
• Ambient diffraction temperature: 288 ± 3 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9715
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No